4-(4-chlorophenoxy)butanehydrazide

C10H13ClN2O2 — CID 61059745

IUPAC4-(4-chlorophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c11-8-3-5-9(6-4-8)15-7-1-2-10(14)13-12/h3-6H,1-2,7,12H2,(H,13,14)
InChIKeyMWRLMEMWOVSUCE-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.49
Rot. Bonds5

About 4-(4-chlorophenoxy)butanehydrazide

4-(4-chlorophenoxy)butanehydrazide (PubChem CID 61059745) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)butanehydrazide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)butanehydrazide
PubChem CID61059745
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-(4-chlorophenoxy)butanehydrazide
SMILESNNC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c11-8-3-5-9(6-4-8)15-7-1-2-10(14)13-12/h3-6H,1-2,7,12H2,(H,13,14)
InChIKeyMWRLMEMWOVSUCE-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-formylphenoxy)butanehydrazide
CID 63568719
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
4-[4-(cyanomethyl)phenoxy]butanehydrazide
CID 55213790
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-[4-(3-oxobutyl)phenoxy]butanehydrazide
CID 63577003
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide
CID 89167610
4-[(5-chloro-3-pyridinyl)oxy]butanehydrazide
CID 64601650
5-(3-chlorophenoxy)pentanehydrazide
CID 63575491
methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
CID 71148683
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)butanehydrazide?
The IUPAC name of 4-(4-chlorophenoxy)butanehydrazide (CID 61059745) is 4-(4-chlorophenoxy)butanehydrazide.
What is the SMILES notation for 4-(4-chlorophenoxy)butanehydrazide?
The canonical SMILES for 4-(4-chlorophenoxy)butanehydrazide is NNC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)butanehydrazide?
The InChIKey is MWRLMEMWOVSUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-3-5-9(6-4-8)15-7-1-2-10(14)13-12/h3-6H,1-2,7,12H2,(H,13,14).
What are the key properties of 4-(4-chlorophenoxy)butanehydrazide?
4-(4-chlorophenoxy)butanehydrazide has a molecular weight of 228.68 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)butanehydrazide is sourced from PubChem (CID 61059745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).